N-benzyl-2-methoxypropan-1-amine

C11H17NO — CID 58887986

IUPACN-benzyl-2-methoxypropan-1-amine
SMILESCOC(C)CNCc1ccccc1
InChIInChI=1S/C11H17NO/c1-10(13-2)8-12-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyDCQLCNQLXJLOGD-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.81
Rot. Bonds5

About N-benzyl-2-methoxypropan-1-amine

N-benzyl-2-methoxypropan-1-amine (PubChem CID 58887986) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-benzyl-2-methoxypropan-1-amine.

Molecular Properties

Compound NameN-benzyl-2-methoxypropan-1-amine
PubChem CID58887986
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-benzyl-2-methoxypropan-1-amine
SMILESCOC(C)CNCc1ccccc1
InChIInChI=1S/C11H17NO/c1-10(13-2)8-12-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyDCQLCNQLXJLOGD-UHFFFAOYSA-N
XLogP1.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-2-methoxy-2-phenylethanamine
CID 55038164
N-benzyl-2-methylpropan-1-amine;ethane
CID 142079167
N-benzyl-3-chloro-2-methylpropan-1-amine
CID 65031724
(2S)-1-(benzylamino)propan-2-ol
CID 964914
methyl (2S)-3-(benzylamino)-2-methylpropanoate
CID 7020995
1-(benzylamino)propan-2-yl propanoate
CID 82533604
N-benzyl-2-(3-chlorophenoxy)propan-1-amine
CID 55053571
2,6-dibromo-4-[(2-methoxypropylamino)methyl]phenol
CID 107741128
5-[(2-methoxypropylamino)methyl]furan-2-carboxylic acid
CID 102696456
4-[(2-methoxypropylamino)methyl]benzene-1,3-diol
CID 102696377
N'-(2-methoxypropyl)-1-phenylpropane-1,3-diamine
CID 102698624
2-N-(2-methoxypropyl)-3-phenylpropane-1,2-diamine
CID 102697099

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-methoxypropan-1-amine?
The IUPAC name of N-benzyl-2-methoxypropan-1-amine (CID 58887986) is N-benzyl-2-methoxypropan-1-amine.
What is the SMILES notation for N-benzyl-2-methoxypropan-1-amine?
The canonical SMILES for N-benzyl-2-methoxypropan-1-amine is COC(C)CNCc1ccccc1.
What is the InChIKey of N-benzyl-2-methoxypropan-1-amine?
The InChIKey is DCQLCNQLXJLOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-10(13-2)8-12-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3.
What are the key properties of N-benzyl-2-methoxypropan-1-amine?
N-benzyl-2-methoxypropan-1-amine has a molecular weight of 179.26 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-methoxypropan-1-amine is sourced from PubChem (CID 58887986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).